SCHEMBL2305306

SCHEMBL2305306

O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
TP53 P04637 2/20 0.40
XIAP P98170 1/20 0.40
MPL P40238 1/20 0.40
ALOX5 P09917 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2301572 0.83 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3310614 0.79 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2363366 0.75 TBK1 (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3310456 0.75 SMN1; SMN2 (0.60) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2303022 0.74 KDM4E (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2303366 0.72 ALDH1A1 (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2305783 0.71 POLB (0.61) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3315591 0.70 ADORA3 (0.50) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2514801 0.69 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2300487 0.68 ADORA3 (0.53) MAPTLMNAKMT2AMEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 MAPT 4008/4885SMN1; SMN2 4749/4885NPC1 432/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.